Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11003325 | 0.84 | MAP2K1 (0.53) | MAP2K1CYP1A2HPGDCYP2D6CYP2C19 | |
| SCHEMBL11006723 | 0.75 | ALDH1A1 (0.50) | HPGDMEN1KMT2AHDAC6RAB9A | |
| SCHEMBL11052447 | 0.73 | LTA4H (0.40) | CYP1A2HPGDMEN1KMT2ACYP3A4 | |
| SCHEMBL10939267 | 0.70 | ALDH1A1 (0.45) | CYP1A2HPGDCYP2D6CYP2C19MEN1 | |
| SCHEMBL11867579 | 0.69 | MEN1 (0.56) | MAP2K1CYP1A2HPGDMEN1KMT2A | |
| SCHEMBL11868641 | 0.69 | MEN1 (0.56) | CYP1A2MEN1KMT2AHDAC6CYP3A4 | |
| SCHEMBL11008783 | 0.68 | L3MBTL1 (0.40) | HPGDALDH1A1L3MBTL1 | |
| SCHEMBL15197094 | 0.66 | MEN1 (0.46) | CYP1A2HPGDMEN1KMT2AHDAC6 | |
| SCHEMBL2915910 | 0.66 | GPR35 (0.46) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL1518075 | 0.64 | MAP2K1 (0.65) | MAP2K1HPGDCYP2C19MAPTALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4456759-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, AND MUSCLE RELAXANTS | SYNTEX (U.S.A.) INC. (US) | 1984-06-26 | — | — | US | disclosed |
| US-4347185-A | DECARBOXYLATION OF THE 1,1-DICARBOXYLATES | SYNTEX (U.S.A.) INC. (US) | 1982-08-31 | — | — | US | disclosed |